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Chemical ID: 6027175
Chemical ID:
6027175
Name [?]:
N-benzyl-2-(2-methoxyethyl-(tert-butylcarbamoyl)amino)-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccccc2)C(=O)CN(CCOC)C(=O)NC(C)(C)C
InChi [?]:
InChI=1/C23H33N3O3S/c1-18-11-14-30-20(18)16-26(15-19-9-7-6-8-10-19)21(27)17-25(12-13-29-5)22(28)24-23(2,3)4/h6-11,14H,12-13,15-17H2,1-5H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,28,29,30,23,13,12,14,11,15,3,20,21,4,9,7,18,2,10,6,16,24,27,26,19,8,17,25,22,5/E:(2,3,4)(7,8)(9,10)/rA:30nCCCCSCCNCCCCCCCCOCNCCOCCONCCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s22;s19;d24;s24;s26;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H33N3O3S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1116 |
Area: | 654.501 |
Solvation: | -5.25091 |
Coulombic: | -55.8709 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 431.593 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.54 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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